Basic information
- CAS
312594-33-5- Standard SMILES
O=S(=O)(NCc1ccccn1)c1ccc2ccccc2c1- InChIKey
BYNPZXLJLAZBOM-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.07759887
Names & identifiers
- Preferred name
- N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide
- IUPAC
- N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide
Names & synonyms
N-(pyridin-2-ylmethyl)naphthalene-2-sulfonamide312594-33-5N-[(pyridin-2-yl)methyl]naphthalene-2-sulfonamideCBKinase1_000374CBKinase1_012774Oprea1_385008Oprea1_763141MLS001221423CHEMBL1422867Naphthalene-2-sulfonic acid (pyridin-2-ylmethyl)-amideSCHEMBL14712377DTXSID201333002
Show more names
HMS2890B17CCG-16411AKOS000595931SMR000607916(2-naphthylsulfonyl)(2-pyridylmethyl)amineST50142715AB00089888-01AG-690/11304253
Database identifiers
- CAS
312594-33-5- PubChem CID
- 804667
- DTXSID
DTXSID201333002- ChEMBL
CHEMBL1422867- Nikkaji
- J1.539.787J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
Solubility36.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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